(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C18H34O3Si2 — CID 11566561

IUPAC(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=C([C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H34O3Si2/c1-12(22(5,6)7)17-13-10-16(19)20-14(13)11-15(17)21-23(8,9)18(2,3)4/h13-15,17H,1,10-11H2,2-9H3/t13-,14-,15+,17+/m0/s1
InChIKeySZPGAEQHIFVYFW-LJIGWXMPSA-N
MW354.64 g/mol
LogP4.76
Rot. Bonds4

About (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 11566561) has the molecular formula C18H34O3Si2 and a molecular weight of 354.64 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID11566561
Molecular FormulaC18H34O3Si2
Molecular Weight354.64 g/mol
Exact Mass354.20
IUPAC Name(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=C([C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H34O3Si2/c1-12(22(5,6)7)17-13-10-16(19)20-14(13)11-15(17)21-23(8,9)18(2,3)4/h13-15,17H,1,10-11H2,2-9H3/t13-,14-,15+,17+/m0/s1
InChIKeySZPGAEQHIFVYFW-LJIGWXMPSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,4S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 174065408
(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815893
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-oct-1-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68733852
5-hydroperoxy-4-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 130358900
(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70579303
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5,6,7-tetradeuteriooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11730807
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
(3aR,4R,5R,6aS)-4-[(E,3S)-5-(4-bromophenyl)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10461370
(3aR,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70653983
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
tert-butyl-dimethyl-[(1S,2S)-2-(1-trimethylsilylethenyl)cyclopentyl]oxysilane
CID 102254534

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 11566561) is (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C=C([C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is SZPGAEQHIFVYFW-LJIGWXMPSA-N. The full InChI is InChI=1S/C18H34O3Si2/c1-12(22(5,6)7)17-13-10-16(19)20-14(13)11-15(17)21-23(8,9)18(2,3)4/h13-15,17H,1,10-11H2,2-9H3/t13-,14-,15+,17+/m0/s1.
What are the key properties of (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 354.64 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11566561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).